ethyl 2-[(1Z)-1-[(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-6-methyl-3-oxidanylidene-furo[3,4-c]pyridin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(1Z)-1-[(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-6-methyl-3-oxidanylidene-furo[3,4-c]pyridin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[(1Z)-1-[(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylene]-6-methyl-3-oxo-furo[3,4-c]pyridin-4-yl]sulfanylacetate CAS Name: 2-[[(1Z)-1-[(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-6-methyl-3-oxo-4-furo[3,4-c]pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1Z)-1-[(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-6-methyl-3-oxofuro[3,4-c]pyridin-4-yl]sulfanylacetate Traditional Name: 2-[[(1Z)-1-[(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylene]-3-keto-6-methyl-furo[3,4-c]pyridin-4-yl]thio]acetic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C(=CC(=N1)C)C(=CC3=C(NC(=C3C)C#N)C)OC2=O

Isomeric SMILES

CCOC(=O)CSC1=C2C(=CC(=N1)C)/C(=C/C3=C(NC(=C3C)C#N)C)/OC2=O

InChI

InChI=1S/C20H19N3O4S/c1-5-26-17(24)9-28-19-18-14(6-10(2)22-19)16(27-20(18)25)7-13-11(3)15(8-21)23-12(13)4/h6-7,23H,5,9H2,1-4H3/b16-7-